(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone

C18H18BrN3OS — CID 86887108

IUPAC(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1cc(Br)cc2c1N(C(=O)c1cc3c(C)nn(C)c3s1)CCC2
InChIInChI=1S/C18H18BrN3OS/c1-10-7-13(19)8-12-5-4-6-22(16(10)12)17(23)15-9-14-11(2)20-21(3)18(14)24-15/h7-9H,4-6H2,1-3H3
InChIKeyVZRFFAJJKXSRSA-UHFFFAOYSA-N
MW404.33 g/mol
LogP4.61
Rot. Bonds1

About (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone

(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone (PubChem CID 86887108) has the molecular formula C18H18BrN3OS and a molecular weight of 404.33 g/mol. Its IUPAC name is (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
PubChem CID86887108
Molecular FormulaC18H18BrN3OS
Molecular Weight404.33 g/mol
Exact Mass403.04
IUPAC Name(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1cc(Br)cc2c1N(C(=O)c1cc3c(C)nn(C)c3s1)CCC2
InChIInChI=1S/C18H18BrN3OS/c1-10-7-13(19)8-12-5-4-6-22(16(10)12)17(23)15-9-14-11(2)20-21(3)18(14)24-15/h7-9H,4-6H2,1-3H3
InChIKeyVZRFFAJJKXSRSA-UHFFFAOYSA-N
XLogP4.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29479052
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416107
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286876
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 51305036
(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 86887149
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone
CID 166227098
[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 86951494
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 2097036
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 25408411
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578757

Frequently Asked Questions

What is the IUPAC name of (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone?
The IUPAC name of (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone (CID 86887108) is (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone.
What is the SMILES notation for (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone?
The canonical SMILES for (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone is Cc1cc(Br)cc2c1N(C(=O)c1cc3c(C)nn(C)c3s1)CCC2.
What is the InChIKey of (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone?
The InChIKey is VZRFFAJJKXSRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3OS/c1-10-7-13(19)8-12-5-4-6-22(16(10)12)17(23)15-9-14-11(2)20-21(3)18(14)24-15/h7-9H,4-6H2,1-3H3.
What are the key properties of (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone?
(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone has a molecular weight of 404.33 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 86887108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).